6SYB
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![BU of 6syb by Molmil](/molmil-images/mine/6syb) | Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | Descriptor: | (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2019-09-27 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide To Be Published
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5O6U
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![BU of 5o6u by Molmil](/molmil-images/mine/5o6u) | Structure of the Cascade-I-Fv R-loop complex from Shewanella putrefaciens | Descriptor: | CRISPR-associated protein, Csy4 family, Uncharacterized protein, ... | Authors: | Pausch, P, Altegoer, F, Bange, G. | Deposit date: | 2017-06-07 | Release date: | 2017-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural Variation of Type I-F CRISPR RNA Guided DNA Surveillance. Mol. Cell, 67, 2017
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5O7H
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![BU of 5o7h by Molmil](/molmil-images/mine/5o7h) | Structure of the Cascade-I-Fv complex from Shewanella putrefaciens | Descriptor: | CRISPR-associated protein, Csy4 family, Cas5fv, ... | Authors: | Pausch, P, Altegoer, F, Bange, G. | Deposit date: | 2017-06-08 | Release date: | 2017-08-16 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Variation of Type I-F CRISPR RNA Guided DNA Surveillance. Mol. Cell, 67, 2017
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6SGP
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![BU of 6sgp by Molmil](/molmil-images/mine/6sgp) | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | Descriptor: | (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Barinka, C, Shukla, S, Motlova, L. | Deposit date: | 2019-08-05 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. J.Chem.Inf.Model., 2024
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6SYP
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![BU of 6syp by Molmil](/molmil-images/mine/6syp) | Human DHODH bound to inhibitor IPP/CNRS-A017 | Descriptor: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-09-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor Eur.J.Med.Chem., 208, 2020
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5OFB
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![BU of 5ofb by Molmil](/molmil-images/mine/5ofb) | Crystal structure of human MORC2 (residues 1-603) with spinal muscular atrophy mutation S87L | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MORC family CW-type zinc finger protein 2, ... | Authors: | Douse, C.H, Liu, Y, Modis, Y. | Deposit date: | 2017-07-10 | Release date: | 2018-02-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms. Nat Commun, 9, 2018
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6SH1
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![BU of 6sh1 by Molmil](/molmil-images/mine/6sh1) | Crystal structure of substrate-free human neprilysin E584D. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | Authors: | Moss, S, Subramanian, V, Acharya, K.R. | Deposit date: | 2019-08-05 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of peptide-bound neprilysin reveals key binding interactions. Febs Lett., 594, 2020
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5OG2
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![BU of 5og2 by Molmil](/molmil-images/mine/5og2) | Cu nitrite reductase serial data at varying temperatures RT 0.09MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5O9K
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![BU of 5o9k by Molmil](/molmil-images/mine/5o9k) | Crystal structure of Murine Histmaine-Releasing Factor (HRF/TCTP) | Descriptor: | GLYCEROL, Translationally-controlled tumor protein | Authors: | Dore, K.A, Kashiwakura, J, McDonnell, J.M, Gould, H.J, Kawakami, T, Sutton, B.J, Davies, A.M. | Deposit date: | 2017-06-19 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.014 Å) | Cite: | Crystal structures of murine and human Histamine-Releasing Factor (HRF/TCTP) and a model for HRF dimerisation in mast cell activation. Mol. Immunol., 93, 2017
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6T1B
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![BU of 6t1b by Molmil](/molmil-images/mine/6t1b) | |
7CTN
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![BU of 7ctn by Molmil](/molmil-images/mine/7ctn) | Structure of the 328-692 fragment of FlhA (E351A/D356A) | Descriptor: | Flagellar biosynthesis protein FlhA | Authors: | Kida, M, Takekawa, N, Kinoshita, M, Inoue, Y, Minamino, T, Imada, K. | Deposit date: | 2020-08-19 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The FlhA linker mediates flagellar protein export switching during flagellar assembly. Commun Biol, 4, 2021
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5OAH
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![BU of 5oah by Molmil](/molmil-images/mine/5oah) | THE PERIPLASMIC BINDING PROTEIN CEUE OF CAMPYLOBACTER JEJUNI BINDS THE IRON(III) COMPLEX OF Azotochelin | Descriptor: | Azotochelin, Enterochelin ABC transporter substrate-binding protein, FE (III) ION | Authors: | Raines, A.D.J, Blagova, E, Dodson, E.J, Wilson, K.S, Duhme-Klair, A.K. | Deposit date: | 2017-06-22 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly Nat Catal, 2018
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6SEK
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![BU of 6sek by Molmil](/molmil-images/mine/6sek) | Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 5 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral Flavin-containing monooxygenase 5, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A. | Deposit date: | 2019-07-30 | Release date: | 2019-12-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs. Nat.Struct.Mol.Biol., 27, 2020
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5OHN
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5OHY
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![BU of 5ohy by Molmil](/molmil-images/mine/5ohy) | A GH31 family sulfoquinovosidase in complex with aza-sugar inhibitor IFGSQ | Descriptor: | 1,2-ETHANEDIOL, Alpha-glucosidase yihQ, PHOSPHATE ION, ... | Authors: | Jin, Y, Williams, S.J, Goddard-Borger, E, Davies, G.J. | Deposit date: | 2017-07-18 | Release date: | 2018-08-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases. ACS Cent Sci, 4, 2018
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5OBH
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![BU of 5obh by Molmil](/molmil-images/mine/5obh) | Crystal structure of glycine binding protein in complex with bicuculline | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dawson, A, Hunter, W.N, Jones, M. | Deposit date: | 2017-06-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Structural Rationale for N-Methylbicuculline Acting as a Promiscuous Competitive Antagonist of Inhibitory Pentameric Ligand-Gated Ion Channels. Chembiochem, 21, 2020
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6SFK
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![BU of 6sfk by Molmil](/molmil-images/mine/6sfk) | Crystal structure of p38 alpha in complex with compound 81 (MCP42) | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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5OBT
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7CNL
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![BU of 7cnl by Molmil](/molmil-images/mine/7cnl) | Crystal structure of TEAD3 in complex with VT105 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide, ... | Authors: | Tang, T.T, Konradi, A.W. | Deposit date: | 2020-08-01 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small Molecule Inhibitors of TEAD Auto-palmitoylation Selectively Inhibit Proliferation and Tumor Growth of NF2 -deficient Mesothelioma. Mol.Cancer Ther., 20, 2021
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6SSY
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7CAV
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![BU of 7cav by Molmil](/molmil-images/mine/7cav) | Versatile cis-prenyltransferase MM_0014 from Methanosarcina mazei (crystal type: co-FG+DMAPP) | Descriptor: | 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol, DIMETHYLALLYL DIPHOSPHATE, DIPHOSPHATE, ... | Authors: | Unno, H, Hemmi, H. | Deposit date: | 2020-06-10 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A versatile cis-prenyltransferase from Methanosarcina mazei catalyzes both C- and O-prenylations. J.Biol.Chem., 296, 2021
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5OD5
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![BU of 5od5 by Molmil](/molmil-images/mine/5od5) | Periplasmic binding protein CeuE complexed with a synthetic catalyst | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide, Azotochelin, ... | Authors: | Duhme-Klair, A.K, Raines, D.J, Clarke, J.E, Blagova, E.V, Dodson, E.J, Wilson, K.S. | Deposit date: | 2017-07-04 | Release date: | 2018-08-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly Nat Catal, 2018
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5OKQ
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![BU of 5okq by Molmil](/molmil-images/mine/5okq) | Non-conservatively refined structure of Gan1D-WT, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-galactose | Descriptor: | 6-O-phosphono-beta-D-galactopyranose, GLYCEROL, IMIDAZOLE, ... | Authors: | Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | Deposit date: | 2017-07-25 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus. FEBS J., 284, 2017
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6SAU
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![BU of 6sau by Molmil](/molmil-images/mine/6sau) | Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance. | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, CALCIUM ION, SODIUM ION, ... | Authors: | Roth, C, Moroz, O.V, Turkenburg, J.P, Blagova, E, Waterman, J, Ariza, A, Ming, L, Tinaqi, S, Andersen, C, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-07-17 | Release date: | 2019-10-23 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and Functional Characterization of Three Novel Fungal Amylases with Enhanced Stability and pH Tolerance. Int J Mol Sci, 20, 2019
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7CC3
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![BU of 7cc3 by Molmil](/molmil-images/mine/7cc3) | Versatile cis-prenyltransferase MM_0014 from Methanosarcina mazei (crystal type: co-FG) | Descriptor: | (2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol, (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol, 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol, ... | Authors: | Unno, H, Hemmi, H. | Deposit date: | 2020-06-16 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A versatile cis-prenyltransferase from Methanosarcina mazei catalyzes both C- and O-prenylations. J.Biol.Chem., 296, 2021
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